![]() |
Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
|
|
You are here: Home > Ions > Energy > Calculated Ionization Energy OR Calculated > Energy > Ion > Calculated Ionization Energy |
Cation | Neutral | Difference | Vertical | Difference | |||||||
---|---|---|---|---|---|---|---|---|---|---|---|
Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | Total |
Hartrees | -302.5386526 | -302.8265602 | 0.2879075 | 0.0000000 | 302.8265602 | ||||||
cm-1 | 208.7 | 161.6 | 47.1 | ||||||||
eV | -8232.495 | 0.026 | -8232.470 | -8240.330 | 0.020 | -8240.310 | 7.834 | 0.006 | 7.840 | 0.000 | 8240.330 |